N-[3-(diethylamino)propyl]piperidine-4-carboxamide

C13H27N3O — CID 16769745

IUPACN-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-5-8-15-13(17)12-6-9-14-10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyKOMUJNWNMHAEHA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About N-[3-(diethylamino)propyl]piperidine-4-carboxamide

N-[3-(diethylamino)propyl]piperidine-4-carboxamide (PubChem CID 16769745) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]piperidine-4-carboxamide
PubChem CID16769745
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[3-(diethylamino)propyl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-5-8-15-13(17)12-6-9-14-10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyKOMUJNWNMHAEHA-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]piperidine-4-carboxamide (CID 16769745) is N-[3-(diethylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
The InChIKey is KOMUJNWNMHAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(4-2)11-5-8-15-13(17)12-6-9-14-10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(diethylamino)propyl]piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]piperidine-4-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 16769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).